SCHEMBL9860255

SCHEMBL9860255

O=C1c2ccccc2C(=O)N1CCCOc1cccc(CO)c1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.67
MAPT P10636 5/20 0.67
SMN1; SMN2 Q16637 1/20 0.67
TDP1 Q9NUW8 3/20 0.58
KMT2A Q03164 2/20 0.58
L3MBTL1 Q9Y468 3/20 0.54
HPGD P15428 3/20 0.50
ALDH1A1 P00352 3/20 0.50
NPSR1 Q6W5P4 1/20 0.49
NPC1 O15118 1/20 0.48
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
GRM5 P41594 1/20 0.46
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1742147 0.89 RAB9A (0.66) RAB9AMAPTSMN1; SMN2TDP1KMT2A
SCHEMBL11178851 0.86 RAB9A (0.67) RAB9AMAPTSMN1; SMN2TDP1KMT2A
SCHEMBL2208811 0.86 RAB9A (0.58) RAB9AMAPTSMN1; SMN2TDP1KMT2A
SCHEMBL17273619 0.85 RAB9A (0.60) RAB9AMAPTSMN1; SMN2TDP1KMT2A
SCHEMBL30602605 0.85 RAB9A (0.60) RAB9AMAPTSMN1; SMN2TDP1KMT2A
SCHEMBL9127589 0.84 RAB9A (0.63) RAB9AMAPTSMN1; SMN2TDP1KMT2A
SCHEMBL9872622 0.83 RAB9A (0.62) RAB9AMAPTSMN1; SMN2TDP1KMT2A
SCHEMBL18732030 0.83 RAB9A (0.62) RAB9AMAPTSMN1; SMN2TDP1KMT2A
Hydrochloric Acid SCHEMBL9125718 0.83 RAB9A (0.62) RAB9AMAPTSMN1; SMN2TDP1KMT2A
Dimethylamine SCHEMBL9871927 0.83 MAPT (0.62) RAB9AMAPTSMN1; SMN2TDP1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4988828-A Antiulcer agents, antagonist for histamine H2 receptors FUJIREBIO KABUSHIKI KAISHA (JP) 1991-01-29 US disclosed
EP-0318036-A2 Phenoxypropyl derivatives FUJIREBIO KABUSHIKI KAISHA (JP) 1989-05-31 EP disclosed
US-4738960-A 1,3,4-Thiadiazole derivatives and pharmaceutical preparations useful as inhibitors for histamine-H2 receptors LUDWIG HEUMANN & CO. GMBH (DE) 1988-04-19 US disclosed
EP-0197189-A2 1,3,4-Thiadiazole derivatives, process for their preparation and medicines containing these compounds HEUMANN PHARMA GMBH & CO (DE) 1986-10-15 EP disclosed
EP-0002930-B1 AMINE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLAXO GROUP LIMITED (GB) 1983-12-14 EP disclosed
EP-0024510-B1 PHENOXYPROPYL AMINE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM TEIKOKU HORMONE MFG. CO., LTD. (JP) 1983-10-19 EP disclosed
US-4304780-A Aminoalkylthiophene derivatives as histamine H2 -antagonists GLAXO GROUP LIMITED (GB) 1981-12-08 US disclosed
US-4293557-A AMIDES TEIKOKU HORMONE MFG. CO., LTD. (JP) 1981-10-06 US disclosed
US-4279911-A ANTIHISTAMINES GLAXO GROUP LIMITED (GB) 1981-07-21 US disclosed
EP-0024510-A1 Phenoxypropyl amine derivatives, process for their preparation, and pharmaceutical compositions containing them TEIKOKU HORMONE MFG. CO., LTD. (JP) 1981-03-11 EP disclosed
US-4233302-A ANTIHISTAMINES, ANTAGONISTS GLAXO GROUP LIMITED (GB) 1980-11-11 US disclosed
EP-0002930-A1 Amine derivatives, their preparation and pharmaceutical compositions containing them GLAXO GROUP LIMITED (GB) 1979-07-11 EP disclosed