SCHEMBL21936809

SCHEMBL21936809

C=CCn1ccc2cc(C)c(F)cc21

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 9/20 0.48
HTR2A P28223 8/20 0.48
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
HTR2B P41595 1/20 0.38
KMT2A Q03164 1/20 0.36
SLC2A1 P11166 1/20 0.36
EGFR P00533 1/20 0.36
P2RX7 Q99572 1/20 0.34
HTR7 P34969 2/20 0.33
KRAS P01116 1/20 0.32
GRIN2B Q13224 1/20 0.32

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
SCHEMBL21936470 0.84 HTR2C (0.44) HTR2CHTR2ACYP1A2CYP3A4CYP2C9
SCHEMBL21872466 0.81 HTR2C (0.54) HTR2CHTR2ACYP1A2CYP3A4CYP2C9
SCHEMBL18911877 0.79 HTR2C (0.53) HTR2CHTR2ACYP1A2CYP3A4CYP2C9
SCHEMBL21872476 0.78 HTR2C (0.46) HTR2CHTR2ACYP1A2CYP3A4CYP2C9
SCHEMBL21872463 0.77 HTR2C (0.43) HTR2CHTR2ACYP1A2CYP3A4CYP2C9
SCHEMBL18912167 0.77 GRIN2B (0.52) HTR2CHTR2AKMT2AGRIN2B
SCHEMBL25689136 0.76 HTR2C (0.65) HTR2CHTR2ACYP1A2CYP3A4CYP2C9
SCHEMBL21872574 0.76 HTR2C (0.45) HTR2CHTR2ACYP1A2CYP3A4CYP2C9
SCHEMBL21872944 0.76 HTR2C (0.46) HTR2CHTR2ACYP1A2CYP3A4CYP2C9
SCHEMBL25010274 0.76 HTR2A (0.55) HTR2CHTR2AKMT2ASLC2A1EGFR

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
EP-3633380-A1 METHOD FOR PREDICTING THERAPEUTIC EFFECT OF LSD1 INHIBITOR BASED ON EXPRESSION OF INSM1 Taiho Pharmaceutical Co., Ltd. (JP) 2020-04-08 EP disclosed