SCHEMBL13627816

SCHEMBL13627816

CC1CCNC1c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
SLC6A2 P23975 1/20 0.43
ADRA1A P35348 1/20 0.43
HTR2B P41595 1/20 0.43
SLC6A3 Q01959 1/20 0.43
TSHR P16473 1/20 0.42
GBA1 P04062 1/20 0.41
CHRNA7 P36544 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TACR1 P25103 4/20 0.39

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
SCHEMBL22570100 0.88 TACR1 (0.46) SLC18A3SIGMAR1TSHRTACR1
SCHEMBL22570096 0.88 TACR1 (0.46) SLC18A3SIGMAR1TSHRTACR1
SCHEMBL21163277 0.88 TACR1 (0.46) SLC18A3SIGMAR1TSHRTACR1
SCHEMBL15922404 0.88 TACR1 (0.46) SLC18A3SIGMAR1TSHRTACR1
SCHEMBL14504584 0.88 TACR1 (0.46) SLC18A3SIGMAR1TSHRTACR1
SCHEMBL25360423 0.88 TACR1 (0.46) SLC18A3SIGMAR1TSHRTACR1
SCHEMBL166543 0.80 PRCP (0.38) TACR1
SCHEMBL20364476 0.78 GBA1 (0.53) SLC18A3SIGMAR1SLC6A2ADRA1AHTR2B
SCHEMBL430840 0.78 P2RX7 (0.40) SLC6A2HTR2BSLC6A3
SCHEMBL8222209 0.77 SLC18A3 (0.52) SLC18A3SIGMAR1SLC6A2ADRA1AHTR2B

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
WO-2024081363-A1 COMPOSITION COMPRISING A FIRST RAS INHIBITOR, SECOND RAS INHIBITOR AND A SHP2 INHIBITOR FOR USE IN THE TREATMENT OF CANCER Revolution Medicines, Inc. (US) 2024-04-18 WO disclosed
US-7622585-B2 Phenylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2009-11-24 US disclosed