SCHEMBL10510232

SCHEMBL10510232

C1=C(c2cc3ccccc3[nH]2)CNCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.47
NPC1 O15118 3/20 0.47
HTR2A P28223 5/20 0.47
HTR2C P28335 1/20 0.47
HTR2B P41595 1/20 0.47
KDM4E B2RXH2 4/20 0.42
MAPT P10636 4/20 0.42
MEN1 O00255 3/20 0.42
ALDH1A1 P00352 3/20 0.42
HPGD P15428 3/20 0.42
KMT2A Q03164 3/20 0.42
KDR P35968 2/20 0.42
CASP3 P42574 2/20 0.42
SENP8 Q96LD8 2/20 0.42
SENP7 Q9BQF6 2/20 0.42
SENP6 Q9GZR1 2/20 0.42
CHEK1 O14757 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL2085643 0.77 RAB9A (0.50) RAB9ANPC1KDM4EMAPTMEN1
SCHEMBL31181951 0.77 RAB9A (0.50) RAB9ANPC1KDM4EMAPTMEN1
SCHEMBL2007176 0.76 RIPK1 (0.48)
SCHEMBL1174412 0.75 RAB9A (0.49) RAB9ANPC1KDM4EMAPTMEN1
SCHEMBL5138986 0.74 SIGMAR1 (0.51) RAB9ANPC1HTR2AHTR2CKDM4E
SCHEMBL31341971 0.72 CHEK1 (0.39) HTR2AHTR2CHTR2BKDRCHEK1
SCHEMBL374022 0.72 RAB9A (0.74) RAB9ANPC1KDM4EMAPTMEN1
SCHEMBL29631691 0.72 RAB9A (0.74) RAB9ANPC1KDM4EMAPTMEN1
SCHEMBL14498916 0.72 KDR (0.47) RAB9ANPC1KDM4EMAPTMEN1
SCHEMBL25452804 0.70 ADRA2A (0.58) HTR2AHTR2CHTR2BADRA2AADRA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0169148-B1 INDOLE DERIVATIVES, THEIR PREPARATION, THEIR USE AS MEDICINES AND COMPOSITIONS CONTAINING THEM ROUSSEL-UCLAF (FR) 1989-09-13 EP disclosed