SCHEMBL31663470

SCHEMBL31663470

O=C(CCc1cccc(C(F)(F)F)c1)NCCc1cccc2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
MTNR1A P48039 5/20 0.56
MTNR1B P49286 3/20 0.56
TRPV1 Q8NER1 3/20 0.48
ADRA2C P18825 2/20 0.47
SLC6A2 P23975 2/20 0.47
HTR2C P28335 2/20 0.47
SLC6A4 P31645 2/20 0.47
OPRM1 P35372 2/20 0.47
DRD3 P35462 2/20 0.47
CASR P41180 2/20 0.47
MLNR O43193 1/20 0.47
ABCB11 O95342 1/20 0.47
ADRB1 P08588 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
CYP2D6 P10635 1/20 0.47
CHRM1 P11229 1/20 0.47
DRD2 P14416 1/20 0.47
CHRM3 P20309 1/20 0.47

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
SCHEMBL1491274 1.00 NPC1 (0.56) NPC1RAB9AMTNR1AMTNR1BTRPV1
SCHEMBL20307881 0.90 TRPV1 (0.49) NPC1RAB9ATRPV1
SCHEMBL4798612 0.81 MTNR1A (0.47) MTNR1AMTNR1BTRPV1ADRA2CSLC6A2
SCHEMBL16212524 0.79 ADRA2C (0.60) ADRA2CSLC6A2HTR2CSLC6A4OPRM1
Hydrochloric Acid SCHEMBL1504932 0.78 SIGMAR1 (0.60) ADRA2CSLC6A2HTR2CSLC6A4OPRM1
SCHEMBL8212125 0.76 ADRA2C (0.47) NPC1RAB9ATRPV1ADRA2CSLC6A2
SCHEMBL6495378 0.76 MTNR1A (0.67) MTNR1AMTNR1B
SCHEMBL1491247 0.76 ADRA2C (0.65) NPC1RAB9AADRA2CSLC6A2HTR2C
SCHEMBL4730665 0.76 MEN1 (0.53) MTNR1ATRPV1HTT
SCHEMBL8469429 0.76 ADRA2C (0.65) NPC1RAB9AADRA2CSLC6A2HTR2C

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
CN-120349246-A Preparation method of cinacalcet hydrochloride and intermediate thereof 上海博志研新药物研究有限公司 2025-07-22 CN disclosed