SCHEMBL7364719

SCHEMBL7364719

Cc1ccnc(N2CCN(C(=O)O)CC2)c1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.43
ALDH1A1 P00352 4/20 0.41
POLB P06746 2/20 0.41
RPS6KB1 P23443 1/20 0.41
TRPV1 Q8NER1 2/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
RAB9A P51151 1/20 0.38
PAX8 Q06710 1/20 0.38
HSD11B1 P28845 1/20 0.38

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
SCHEMBL7371463 0.82 GRM5 (0.42) GRM5ALDH1A1TRPV1LMNAMAPT
SCHEMBL6276159 0.80 ADRB1 (0.48) MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL7367453 0.79 GRM5 (0.38) GRM5ALDH1A1POLBTRPV1MAPT
SCHEMBL28744241 0.77 ALDH1A1 (0.51) ALDH1A1POLBLMNAMAPTSMN1; SMN2
SCHEMBL14377204 0.76 MEN1 (0.43) ALDH1A1POLBRPS6KB1LMNAMAPT
SCHEMBL4563772 0.76 CYP1A2 (0.69) GRM5ALDH1A1POLBLMNAMAPT
SCHEMBL20339483 0.75 TRPV1 (0.61) ALDH1A1TRPV1HSD11B1
SCHEMBL4606448 0.74 ALDH1A1 (0.49) ALDH1A1TRPV1LMNAMAPTSMN1; SMN2
SCHEMBL18282577 0.73 ALDH1A1 (0.41) ALDH1A1POLBMAPTSMN1; SMN2CYP1A2
SCHEMBL782123 0.72 MAPT (0.44) GRM5ALDH1A1RPS6KB1TRPV1LMNA

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-0971928-A1 QUINOLINE-2(1H)-ONE AND DIHYDROQUINOLINE-2(1H)-ONE DERIVATIVES AS LIGANDS OF 5-HT, 5-HT2 AND 5-HT1-LIKE RECEPTORS SANOFI-SYNTHELABO (FR) 2000-01-19 EP disclosed
WO-1998042712-A1 QUINOLINE-2(1H)-ONE AND DIHYDROQUINOLINE-2(1H)-ONE DERIVATIVES AS LIGANDS OF 5-HT, 5-HT2 AND 5-HT1-LIKE RECEPTORS SANOFI-SYNTHELABO (FR) 1998-10-01 WO disclosed