SCHEMBL6624318

SCHEMBL6624318

OC1CN(Cc2ccccc2)CC1c1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FUCA1 P04066 2/20 0.71
GBA1 P04062 1/20 0.59
CCR5 P51681 1/20 0.55
RORC P51449 3/20 0.54
KDM1A O60341 1/20 0.52
MTAP Q13126 1/20 0.51
ALDH1A1 P00352 1/20 0.50
S1PR1 P21453 1/20 0.49
S1PR5 Q9H228 1/20 0.49
SIGMAR1 Q99720 1/20 0.48

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
SCHEMBL6571278 0.89 CCR5 (0.60) FUCA1CCR5RORCKDM1AS1PR1
SCHEMBL5198451 0.87 CCR5 (0.57) FUCA1CCR5KDM1AALDH1A1SIGMAR1
SCHEMBL84802 0.87 FUCA1 (0.85) FUCA1GBA1ALDH1A1S1PR1S1PR5
SCHEMBL5155562 0.87 FUCA1 (0.85) FUCA1GBA1ALDH1A1S1PR1S1PR5
SCHEMBL20017877 0.87 FUCA1 (0.85) FUCA1GBA1ALDH1A1S1PR1S1PR5
SCHEMBL562632 0.87 FUCA1 (0.85) FUCA1GBA1ALDH1A1S1PR1S1PR5
SCHEMBL71063 0.87 FUCA1 (0.85) FUCA1GBA1ALDH1A1S1PR1S1PR5
Hydrochloric Acid SCHEMBL10840201 0.85 FUCA1 (0.81) FUCA1GBA1ALDH1A1S1PR1S1PR5
SCHEMBL11558275 0.85 FUCA1 (0.60) FUCA1GBA1CCR5KDM1AALDH1A1
SCHEMBL11558271 0.85 FUCA1 (0.60) FUCA1GBA1CCR5KDM1AALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0985664-B1 Method of producing pyrrolidine derivatives TORAY FINECHEMICALS CO LTD (JP) 2004-03-31 EP disclosed
US-6479668-B1 Method of producing pyrrolidine derivatives TORAY INDUSTRIES, INC. (JP) 2002-11-12 US disclosed
US-6130338-A OXIDATING THE CORRESPONDING 3-PYRROLINE COMPOUND TO GIVE AN EPOXYPYRROLIDINE COMPOUND TORAY INDUSTRIES, INC. (JP) 2000-10-10 US disclosed
EP-0985664-A2 Method of producing pyrrolidine derivatives TORAY INDUSTRIES, INC. (JP) 2000-03-15 EP disclosed