SCHEMBL9158562

SCHEMBL9158562

CN(C(=O)CN(C(=O)CN)c1ccccc1)c1ccccc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39
GABRB2 P47870 1/20 0.39
GABRA4 P48169 1/20 0.39
GABRE P78334 1/20 0.39
GABRA6 Q16445 1/20 0.39
GABRG1 Q8N1C3 1/20 0.39
GABRG3 Q99928 1/20 0.39
GABRQ Q9UN88 1/20 0.39
ADRA2C P18825 1/20 0.38
ALDH1A1 P00352 3/20 0.37
TSHR P16473 2/20 0.37
GLA P06280 1/20 0.37

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
SCHEMBL9154159 0.87 GABRP (0.41) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9154411 0.87 GABRP (0.41) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9134193 0.85 MTNR1A (0.43) TP53
SCHEMBL8860046 0.84 KMT2A (0.46) ADRA2CALDH1A1TSHRGLATP53
SCHEMBL9152749 0.84 GABRP (0.44) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9152131 0.82 MAPT (0.42) ALDH1A1TSHRGLAAGTR2GAA
SCHEMBL9153579 0.82 KMT2A (0.40) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9153519 0.80 SLC6A2 (0.41) AGTR2MEN1KMT2AAOC3POLB
SCHEMBL9153633 0.79 ALDH1A1 (0.47) ALDH1A1TSHRGAAMEN1KMT2A
SCHEMBL9153457 0.79 RAB9A (0.42) ALDH1A1TSHRGLATP53GAA

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-5382590-A Gastrointestinal disorders and nervous system disorders RHONE-POULENC RORER S.A. (FR) 1995-01-17 US disclosed