SCHEMBL9729512

SCHEMBL9729512

O=C1CCC(c2ccccc2)(c2ccccc2)C2CN(C(=O)Cc3cccc(C(F)(F)F)c3)CC12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.50
MEN1 O00255 4/20 0.50
TACR1 P25103 5/20 0.49
MAPT P10636 3/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2C19 P33261 2/20 0.49
TSHR P16473 1/20 0.49
OPRK1 P41145 1/20 0.44
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CNR1 P21554 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LMNA P02545 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRL1 P41146 1/20 0.39
RORC P51449 1/20 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
SCHEMBL9730595 0.87 TACR1 (0.58) KMT2AMEN1TACR1MAPTCYP3A4
SCHEMBL9729849 0.87 TACR1 (0.58) KMT2AMEN1TACR1MAPTCYP3A4
SCHEMBL9730167 0.85 MEN1 (0.51) KMT2AMEN1TACR1MAPTCYP3A4
SCHEMBL9730176 0.85 TACR1 (0.53) KMT2AMEN1TACR1MAPTCYP3A4
SCHEMBL9730103 0.82 MAPT (0.56) KMT2AMEN1TACR1MAPTCYP3A4
SCHEMBL9729197 0.82 TACR1 (0.55) KMT2AMEN1TACR1MAPTCYP3A4
SCHEMBL9729490 0.82 TACR1 (0.48) KMT2AMEN1TACR1MAPTCYP3A4
SCHEMBL9730126 0.82 TACR1 (0.51) KMT2AMEN1TACR1MAPTCYP3A4
SCHEMBL9729860 0.80 MEN1 (0.53) KMT2AMEN1TACR1MAPTCYP3A4
SCHEMBL9729215 0.80 TACR1 (0.51) KMT2AMEN1TACR1MAPTCYP3A4

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