SCHEMBL6206035

SCHEMBL6206035

O=C(NCc1ccc(CN2CCCCC2)cc1)c1c[nH]c2ccc(F)cc2c1=O

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.58
RXFP1 Q9HBX9 1/20 0.58
ALDH1A1 P00352 3/20 0.58
HPGD P15428 2/20 0.58
KMT2A Q03164 1/20 0.53
HRH3 Q9Y5N1 2/20 0.53
POLB P06746 3/20 0.51
MPO P05164 1/20 0.51
KDM4E B2RXH2 2/20 0.49
HSD17B10 Q99714 1/20 0.49
ADORA2A P29274 1/20 0.48
ADORA1 P30542 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
Hydrochloric Acid SCHEMBL6205334 0.99 MAPT (0.57) MAPTRXFP1ALDH1A1HPGDKMT2A
SCHEMBL6204754 0.99 MAPT (0.59) MAPTRXFP1ALDH1A1HPGDKMT2A
Hydrochloric Acid SCHEMBL6203546 0.98 MAPT (0.58) MAPTRXFP1ALDH1A1HPGDKMT2A
SCHEMBL6206415 0.86 KDM4E (0.60) MAPTALDH1A1HPGDHRH3POLB
SCHEMBL6203893 0.84 POLB (0.72) MAPTALDH1A1HPGDKMT2AHRH3
SCHEMBL6206611 0.83 POLB (0.73) MAPTRXFP1ALDH1A1HPGDKMT2A
SCHEMBL6207397 0.82 MAPT (0.53) MAPTRXFP1ALDH1A1HPGDKMT2A
SCHEMBL6208399 0.81 RAB9A (0.58) ALDH1A1HPGDHRH3RAB9A
SCHEMBL6205202 0.81 NHERF1 (0.53) HRH3POLBHDAC1HDAC6NPC1
SCHEMBL6204128 0.80 NHERF1 (0.68) MAPTRXFP1POLBADORA2AADORA1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1177177-B1 SUBSTITUTED 4-OXO-QUINOLINE-3-CARBOXAMIDES: GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORP (US) 2005-02-23 EP claimed
US-6413956-B1 AGONISTS, ANTAGONISTS OR INVERSE AGONISTS AND LOCALIZATION PROBES FOR GAMMA AMINOBUTYRIC ACID BRAIN RECEPTORS; ANXIETY, DEPRESSION, DOWN SYNDROME, SLEEP AND SEIZURE DISORDERS, OVERDOSE WITH BENZODIAZEPINE DRUGS AND MEMORY ENHANCEMENT NEUROGEN CORPORATION 2002-07-02 US claimed