SCHEMBL10798191

SCHEMBL10798191

O=C(OCc1ccccc1)[C@H]1C[C@H]2CCCN2C1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 6/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
GABRA1 P14867 1/20 0.47
GABRG2 P18507 1/20 0.47
GABRB3 P28472 1/20 0.47
GABRA3 P34903 1/20 0.47
GABRA2 P47869 1/20 0.47
GABRB2 P47870 1/20 0.47
MC4R P32245 2/20 0.47
MC3R P41968 2/20 0.47
MC1R Q01726 2/20 0.47
SIGMAR1 Q99720 1/20 0.46
CYP2C19 P33261 1/20 0.46
STS P08842 1/20 0.46
HPGD P15428 1/20 0.46
L3MBTL1 Q9Y468 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
Hydrochloric Acid SCHEMBL5474137 0.99 FKBP1A (0.48) FKBP1ASMN1; SMN2NPC1RAB9AGABRA1
Hydrochloric Acid SCHEMBL30844756 0.99 FKBP1A (0.48) FKBP1ASMN1; SMN2NPC1RAB9AGABRA1
SCHEMBL924014 0.90 GABRA1 (0.53) FKBP1ASMN1; SMN2NPC1RAB9AGABRA1
SCHEMBL5263914 0.85 HPGD (0.50) SMN1; SMN2NPC1RAB9ACYP2C19STS
Hydrochloric Acid SCHEMBL6182698 0.82 GABRA1 (0.51) FKBP1ASMN1; SMN2NPC1RAB9AGABRA1
SCHEMBL10604755 0.81 MC4R (0.47) FKBP1ASMN1; SMN2NPC1RAB9AMC4R
SCHEMBL10587876 0.81 MC4R (0.47) FKBP1ASMN1; SMN2NPC1RAB9AMC4R
SCHEMBL10604863 0.81 MC4R (0.47) FKBP1ASMN1; SMN2NPC1RAB9AMC4R
SCHEMBL23147575 0.80 FKBP1A (0.47) FKBP1ASMN1; SMN2NPC1RAB9AMC4R
Hydrochloric Acid SCHEMBL11012588 0.80 MC4R (0.46) FKBP1ASMN1; SMN2NPC1RAB9AMC4R

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
US-4659838-A Method of resolving bicyclic imino-α-carboxylic acid ester racemates HOECHST AKTIENGESELLSCHAFT (DE) 1987-04-21 US disclosed