SCHEMBL9601595

SCHEMBL9601595

CCC1CN(OC(=O)NC2CC3CCC(C2)N3C)c2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
HTR3A P46098 1/20 0.43
HTR4 Q13639 1/20 0.43
HTR6 P50406 1/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL9602684 0.85 HTR6 (0.46) TMEM97SIGMAR1HTR3AHTR4HTR6
SCHEMBL7266754 0.82 HTR4 (0.50) TMEM97SIGMAR1HTR3AHTR4
Hydrochloric Acid SCHEMBL7437711 0.81 HTR4 (0.49) TMEM97SIGMAR1HTR3AHTR4
SCHEMBL9602248 0.75 MEN1 (0.43) TMEM97SIGMAR1HTR3AHTR4MEN1
SCHEMBL9602391 0.73 MEN1 (0.42) MEN1KMT2AALDH1A1CYP3A4TSHR
SCHEMBL9602370 0.71 SMN1; SMN2 (0.48) HTR3AMEN1KMT2ATSHR
SCHEMBL7432965 0.69 HTR4 (0.50) TMEM97SIGMAR1HTR3AHTR4MEN1
SCHEMBL7266681 0.69 NOTUM (0.53) TMEM97SIGMAR1HTR3AHTR4HTR6
Hydrochloric Acid SCHEMBL7439063 0.68 NOTUM (0.52) TMEM97SIGMAR1HTR3AHTR4HTR6
SCHEMBL9601408 0.68 SMN1; SMN2 (0.48) HTR4MEN1KMT2AALDH1A1TSHR

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-0247266-B1 INDOLE DERIVATIVES HAVING AN AZABICYCLIC SIDE CHAIN, PROCESS FOR THEIR PREPARATION, INTERMEDIATES, AND PHARMACEUTICAL COMPOSITIONS BEECHAM GROUP PLC (GB) 1993-03-10 EP claimed