SCHEMBL31316604

SCHEMBL31316604

CC1(Oc2ccc(C(F)(F)F)cc2)CCNC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.45
MMP2 P08253 1/20 0.38
MMP3 P08254 1/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
MMP13 P45452 1/20 0.38
MMP14 P50281 1/20 0.38
SLC6A4 P31645 3/20 0.37
SLC6A2 P23975 2/20 0.36
TACR1 P25103 1/20 0.36
HTR2C P28335 5/20 0.36
HTR2A P28223 4/20 0.36
HTR2B P41595 3/20 0.36
SLC6A3 Q01959 1/20 0.35

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
Hydrochloric Acid SCHEMBL31756160 0.90 DRD2 (0.43) DRD2MMP2MMP3MMP9MMP8
SCHEMBL17848489 0.79 MMP13 (0.44) DRD2MMP9MMP13SLC6A4SLC6A2
SCHEMBL17848388 0.78 HTR2A (0.44) DRD2SLC6A4SLC6A2HTR2CHTR2A
Hydrochloric Acid SCHEMBL17848450 0.78 MMP13 (0.42) DRD2MMP9MMP13SLC6A4SLC6A2
Hydrochloric Acid SCHEMBL31316582 0.77 HTR2A (0.43) DRD2SLC6A4SLC6A2HTR2CHTR2A
SCHEMBL17848382 0.76 DRD2 (0.46) DRD2SLC6A4SLC6A2TACR1HTR2C
SCHEMBL19567888 0.72 DRD2 (0.52) DRD2
SCHEMBL6819891 0.72 SLC6A4 (0.36) DRD2SLC6A4SLC6A2HTR2ASLC6A3
SCHEMBL21607088 0.71 SLC6A2 (0.37) DRD2SLC6A4SLC6A2SLC6A3
SCHEMBL25466731 0.71 DRD2 (0.44) DRD2SLC6A4SLC6A2HTR2CHTR2B

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
WO-2025010311-A1 UREA-CONTAINING AGONISTS OF OREXIN RECEPTOR TYPE 2 VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-01-09 WO disclosed