SCHEMBL8380414

SCHEMBL8380414

C[C@]12CCCN[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(N)=O)CC[C@@H]12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 2/20 0.45
AKR1B10 O60218 3/20 0.42
AKR1B1 P15121 3/20 0.42
GPBAR1 Q8TDU6 1/20 0.42
GABRP O00591 2/20 0.41
GABRD O14764 2/20 0.41
G6PD P11413 2/20 0.41
GABRA1 P14867 2/20 0.41
GABRB1 P18505 2/20 0.41
GABRG2 P18507 2/20 0.41
GABRB3 P28472 2/20 0.41
GABRA5 P31644 2/20 0.41
GABRA3 P34903 2/20 0.41
GABRA2 P47869 2/20 0.41
GABRB2 P47870 2/20 0.41
GABRA4 P48169 2/20 0.41
GABRE P78334 2/20 0.41
GABRA6 Q16445 2/20 0.41
GABRG1 Q8N1C3 2/20 0.41
GABRG3 Q99928 2/20 0.41

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
SCHEMBL8014771 1.00 SRD5A2 (0.45) SRD5A2AKR1B10AKR1B1GPBAR1GABRP
SCHEMBL518237 0.88 SRD5A2 (0.46) SRD5A2AKR1B10AKR1B1GABRPGABRD
SCHEMBL518238 0.88 SRD5A2 (0.46) SRD5A2AKR1B10AKR1B1GABRPGABRD
SCHEMBL3869935 0.80 SRD5A1 (0.38) SRD5A2KMT2A
SCHEMBL15121547 0.80 SRD5A1 (0.38) SRD5A2KMT2A
SCHEMBL3869928 0.80 SRD5A1 (0.38) SRD5A2KMT2A
SCHEMBL9665450 0.79 SRD5A2 (0.51) SRD5A2LMNABLMCYP3A4MAPK1
SCHEMBL9665439 0.79 SRD5A2 (0.51) SRD5A2LMNABLMCYP3A4MAPK1
SCHEMBL9853139 0.78 SRD5A2 (0.40) SRD5A2
SCHEMBL4608726 0.78 SRD5A2 (0.72) SRD5A2

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
EP-0902790-A1 PROCESS FOR PREPARING STEROIDS HAVING A CARBOXAMIDE SIDE-CHAIN PHARMACIA & UPJOHN S.p.A. (IT) 1999-03-24 EP claimed
WO-1997040062-A1 PROCESS FOR PREPARING STEROIDS HAVING A CARBOXAMIDE SIDE-CHAIN PHARMACIA & UPJOHN S.P.A. (IT) 1997-10-30 WO claimed