SCHEMBL9729234

SCHEMBL9729234

Cc1ccccc1CC(=O)N1CC2C(=O)CCC(c3ccccc3)(c3ccccc3)C2C1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 5/20 0.61
MEN1 O00255 4/20 0.61
KMT2A Q03164 4/20 0.61
MAPT P10636 2/20 0.61
CYP3A4 P08684 1/20 0.61
TSHR P16473 1/20 0.61
CYP2C19 P33261 1/20 0.61
FNTA P49354 3/20 0.46
FNTB P49356 3/20 0.46
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
CCR3 P51677 4/20 0.36
CASP3 P42574 1/20 0.36
CASP7 P55210 1/20 0.36

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
SCHEMBL9729985 0.89 TACR1 (0.58) TACR1MEN1KMT2AMAPTCYP3A4
SCHEMBL9729456 0.88 TACR1 (0.59) TACR1MEN1KMT2AMAPTCYP3A4
SCHEMBL9729686 0.87 TACR1 (0.58) TACR1MEN1KMT2AMAPTCYP3A4
SCHEMBL9729329 0.87 TACR1 (0.58) TACR1MEN1KMT2AMAPTCYP3A4
SCHEMBL9730246 0.87 TACR1 (0.58) TACR1MEN1KMT2AMAPTCYP3A4
SCHEMBL9373109 0.87 TACR1 (0.68) TACR1MEN1KMT2AMAPTCYP3A4
SCHEMBL9272085 0.87 TACR1 (0.68) TACR1MEN1KMT2AMAPTCYP3A4
SCHEMBL9729596 0.87 TACR1 (0.80) TACR1MEN1KMT2AMAPTCYP3A4
SCHEMBL9729430 0.87 TACR1 (0.80) TACR1MEN1KMT2AMAPTCYP3A4
SCHEMBL9729926 0.87 TACR1 (0.55) TACR1MEN1KMT2AMAPTCYP3A4

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