SCHEMBL9730461

SCHEMBL9730461

O=C1CCC(c2ccccc2)(c2ccccc2)C2CN(C(Cc3ccccc3)=NCc3cccc(F)c3)CC12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPT P10636 2/20 0.47
CYP3A4 P08684 1/20 0.47
TACR1 P25103 1/20 0.47
CYP2C19 P33261 1/20 0.47
OPRM1 P35372 1/20 0.34
OPRL1 P41146 1/20 0.34
METAP2 P50579 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
DPP4 P27487 1/20 0.33
GRIN2B Q13224 1/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33

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
SCHEMBL9730365 0.91 TACR1 (0.51) TSHRMEN1KMT2AMAPTCYP3A4
SCHEMBL9730197 0.91 TACR1 (0.53) TSHRMEN1KMT2AMAPTCYP3A4
SCHEMBL9730566 0.87 TACR1 (0.54) TSHRMEN1KMT2AMAPTCYP3A4
SCHEMBL9729441 0.86 TACR1 (0.52) TSHRMEN1KMT2AMAPTCYP3A4
SCHEMBL9730495 0.84 TACR1 (0.55) TSHRMEN1KMT2AMAPTCYP3A4
SCHEMBL9729715 0.84 MEN1 (0.47) TSHRMEN1KMT2AMAPTCYP3A4
SCHEMBL9729691 0.83 TACR1 (0.53) TSHRMEN1KMT2AMAPTCYP3A4
SCHEMBL9730899 0.83 TACR1 (0.55) TSHRMEN1KMT2AMAPTCYP3A4
SCHEMBL9729942 0.83 TACR1 (0.49) TSHRMEN1KMT2AMAPTCYP3A4
SCHEMBL9730151 0.83 TACR1 (0.52) TSHRMEN1KMT2AMAPTCYP3A4

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
US-5102667-A Antiallergens, antiinflammatory agents, nervous system disorders, immunology, psychological disorders RHONE-POULENC SANTE (FR) 1992-04-07 US disclosed