Sugi Predict

Sugi Predict / Compounds / SCHEMBL8074137

SCHEMBL8074137

SCHEMBL8074137

CN1C(=O)C=C[C@@]2(C)C1CC[C@@H]1[C@H]2CC[C@]2(C)C(C(=O)NC(c3ccccc3)(C(F)(F)F)C(F)(F)F)CC[C@@H]12

nearest known ligand 0.72

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ SRD5A2 P31213 4/20 0.70
▸ SRD5A1 P18405 4/20 0.70
▸ AR P10275 4/20 0.69
▸ KCNH2 Q12809 2/20 0.51

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
SCHEMBL8074134 1.00 SRD5A2 (0.70) SRD5A2SRD5A1ARKCNH2
SCHEMBL8376189 0.91 SRD5A2 (0.71) SRD5A2SRD5A1ARKCNH2
SCHEMBL8376192 0.91 SRD5A2 (0.71) SRD5A2SRD5A1ARKCNH2
SCHEMBL9022541 0.89 AR (0.68) SRD5A2SRD5A1ARKCNH2
SCHEMBL9022263 0.89 AR (0.68) SRD5A2SRD5A1ARKCNH2
SCHEMBL9022270 0.89 AR (0.68) SRD5A2SRD5A1ARKCNH2
SCHEMBL9022545 0.89 AR (0.68) SRD5A2SRD5A1ARKCNH2
SCHEMBL5212103 0.88 AR (0.67) SRD5A2SRD5A1ARKCNH2
SCHEMBL7790540 0.84 AR (0.67) SRD5A2SRD5A1ARKCNH2
SCHEMBL10521077 0.84 AR (0.67) SRD5A2SRD5A1ARKCNH2

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-B1 PROCESS FOR PREPARING STEROIDS HAVING A CARBOXAMIDE SIDE-CHAIN PHARMACIA & UPJOHN SPA (IT) 2000-08-16 — — EP claimed
EP-0902790-B1 PROCESS FOR PREPARING STEROIDS HAVING A CARBOXAMIDE SIDE-CHAIN PHARMACIA & UPJOHN SPA (IT) 2000-08-16 — — EP disclosed