SCHEMBL9602684

SCHEMBL9602684

CC1CN(OC(=O)NC2CC3CCC(C2)N3C)c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.46
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 1/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42
NOTUM Q6P988 1/20 0.42
HTR3A P46098 2/20 0.41
TMEM97 Q5BJF2 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
HTR4 Q13639 1/20 0.41
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40
HTR3D Q70Z44 1/20 0.40
HTR3C Q8WXA8 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
SCHEMBL9601595 0.85 TMEM97 (0.43) HTR6MEN1KMT2AALDH1A1CYP3A4
SCHEMBL7266681 0.81 NOTUM (0.53) HTR6NOTUMHTR3ATMEM97SIGMAR1
Hydrochloric Acid SCHEMBL7439063 0.80 NOTUM (0.52) HTR6NOTUMHTR3ATMEM97SIGMAR1
SCHEMBL9602248 0.78 MEN1 (0.43) MEN1KMT2AALDH1A1CYP3A4TSHR
SCHEMBL9602391 0.76 MEN1 (0.42) MEN1KMT2AALDH1A1CYP3A4TSHR
SCHEMBL9602370 0.74 SMN1; SMN2 (0.48) MEN1KMT2ATSHRHTR3AHTR3E
SCHEMBL7432965 0.71 HTR4 (0.50) MEN1KMT2AHTR3ATMEM97SIGMAR1
SCHEMBL7305951 0.70 NOTUM (0.55) NOTUM
SCHEMBL9602385 0.70 ALDH1A1 (0.50) ALDH1A1CYP3A4TSHRMAPK1HSD17B10
SCHEMBL10361731 0.70 TMEM97 (0.46) HTR3ATMEM97SIGMAR1HTR4

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