SCHEMBL11257441

SCHEMBL11257441

CC(=O)N(c1nc2cc3nc(N(C(C)=O)N4CCN(C)CC4)sc3cc2s1)N1CCN(C)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 1/20 0.39
▸ RAD52 P43351 1/20 0.39
▸ DRD2 P14416 3/20 0.37
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ HRH4 Q9H3N8 7/20 0.34
▸ OPRM1 P35372 2/20 0.34
▸ OPRD1 P41143 2/20 0.34
▸ OPRK1 P41145 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ HTT P42858 1/20 0.33

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
SCHEMBL11265320 0.89 HTR2C (0.41) HTR2CRAD52DRD2NPC1RAB9A
SCHEMBL11262480 0.88 HTR2C (0.40) HTR2CRAD52NPC1RAB9AHDAC6
Hydrochloric Acid SCHEMBL11254022 0.86 RAD52 (0.41) HTR2CRAD52NPC1RAB9AHDAC6
SCHEMBL11265827 0.86 HTR2C (0.39) HTR2CRAD52DRD2NPC1RAB9A
SCHEMBL11251027 0.85 HTR2C (0.39) HTR2CRAD52DRD2NPC1RAB9A
SCHEMBL11254903 0.85 NPC1 (0.43) HTR2CRAD52NPC1RAB9AALDH1A1
SCHEMBL11256981 0.84 SMN1; SMN2 (0.41) HTR2CRAD52NPC1RAB9AHDAC6
SCHEMBL11256220 0.78 EPHX2 (0.41) HTR2CRAD52DRD2NPC1RAB9A
SCHEMBL11258507 0.78 SMN1; SMN2 (0.39) HTR2CRAD52NPC1RAB9AOPRM1
SCHEMBL11260549 0.78 HTR2C (0.36) HTR2CRAD52NPC1RAB9AHDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4344946-A ANTIARTHRITICS, ANTIRHEUMATICS BOEHRINGER INGELHEIM GMBH (DE) 1982-08-17 — — US claimed
US-4344946-A ANTIARTHRITICS, ANTIRHEUMATICS BOEHRINGER INGELHEIM GMBH (DE) 1982-08-17 — — US disclosed
Send feedback