SCHEMBL7760033

SCHEMBL7760033

Clc1cccc(CN2CCN(c3nc4ccccc4s3)CC2)c1

nearest known ligand 0.79

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.79
NPC1 O15118 6/20 0.79
MEN1 O00255 4/20 0.79
KMT2A Q03164 4/20 0.79
CYP1A2 P05177 2/20 0.64
CYP2D6 P10635 2/20 0.64
CYP2C9 P11712 2/20 0.64
CYP2C19 P33261 2/20 0.64
CYP3A4 P08684 1/20 0.64
SMN1; SMN2 Q16637 3/20 0.60
POLB P06746 1/20 0.60
DRD4 P21917 2/20 0.59
DRD2 P14416 1/20 0.59
DRD3 P35462 1/20 0.59
SIGMAR1 Q99720 1/20 0.58
GRM2 Q14416 1/20 0.56
MAPT P10636 1/20 0.53
CCR3 P51677 1/20 0.52

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
Hydrochloric Acid SCHEMBL7756351 0.99 RAB9A (0.77) RAB9ANPC1MEN1KMT2ACYP1A2
SCHEMBL7760900 0.89 RAB9A (1.00) RAB9ANPC1MEN1KMT2ACYP1A2
Hydrochloric Acid SCHEMBL7963191 0.86 RAB9A (0.81) RAB9ANPC1MEN1KMT2ACYP1A2
SCHEMBL27645188 0.86 RAB9A (0.75) RAB9ANPC1MEN1KMT2ACYP1A2
SCHEMBL2096674 0.84 MEN1 (0.55) RAB9ANPC1MEN1KMT2ACYP1A2
SCHEMBL10271181 0.84 RAB9A (0.72) RAB9ANPC1MEN1KMT2ACYP1A2
SCHEMBL7959699 0.83 RAB9A (0.71) RAB9ANPC1MEN1KMT2ACYP1A2
SCHEMBL7756335 0.83 RAB9A (0.74) RAB9ANPC1MEN1KMT2ACYP1A2
SCHEMBL2096670 0.83 MEN1 (0.54) RAB9ANPC1MEN1KMT2ACYP1A2
SCHEMBL10219639 0.83 NPC1 (0.60) RAB9ANPC1MEN1KMT2ACYP1A2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1089990-A1 1-(BENZOTHIAZOL-2-YL)-4-(1-PHENYLMETHYL)PIPERAZINES: DOPAMINE RECEPTOR SUBTYPE SPECIFIC LIGANDS NEUROGEN CORPORATION (US) 2001-04-11 EP claimed
WO-2000000482-A1 1-(BENZOTHIAZOL-2-YL)-4-(1-PHENYLMETHYL)PIPERAZINES: DOPAMINE RECEPTOR SUBTYPE SPECIFIC LIGANDS NEUROGEN CORPORATION (US) 2000-01-06 WO claimed
CN-100497345-C 2, 3-dihydro-6-nitroimidazolo [2,1-b] oxazole compounds for the treatment of tuberculosis OTSUKA PHARMA CO LTD (JP) 2009-06-10 CN disclosed
CN-1878777-A 2,3-dihydro-6-nitroimidazo (2,1-b) oxazole compounds for the treatment of tuberculosis OTSUKA PHARMA CO LTD (JP) 2006-12-13 CN disclosed
US-6291463-B1 TREATMENT AND/OR PREVENTION OF NEUROPSYCHOLOGICAL DISORDERS NEUROGEN CORPORATION 2001-09-18 US disclosed
EP-1089990-A1 1-(BENZOTHIAZOL-2-YL)-4-(1-PHENYLMETHYL)PIPERAZINES: DOPAMINE RECEPTOR SUBTYPE SPECIFIC LIGANDS NEUROGEN CORPORATION (US) 2001-04-11 EP disclosed
WO-2000000482-A1 1-(BENZOTHIAZOL-2-YL)-4-(1-PHENYLMETHYL)PIPERAZINES: DOPAMINE RECEPTOR SUBTYPE SPECIFIC LIGANDS NEUROGEN CORPORATION (US) 2000-01-06 WO disclosed