SCHEMBL6570361

SCHEMBL6570361

CCC(CC)(C(=O)O)C(=O)Cc1ccccn1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
PTPRA P18433 1/20 0.44
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
CYP1A2 P05177 3/20 0.42
ALDH1A1 P00352 2/20 0.42
TSHR P16473 1/20 0.42
CYP2C19 P33261 1/20 0.41
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
IDO1 P14902 1/20 0.40
FDPS P14324 1/20 0.40

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
SCHEMBL13320414 0.78 CYP1A2 (0.50) RAB9ANPC1PTPRAPOLBSMN1; SMN2
SCHEMBL6637951 0.78 NPC1 (0.52) RAB9ANPC1PTPRASMN1; SMN2ALDH1A1
SCHEMBL28018657 0.77 CYP1A2 (0.49) RAB9ANPC1PTPRAPOLBSMN1; SMN2
SCHEMBL6638562 0.76 FDPS (0.54) RAB9ANPC1PTPRAPOLBSMN1; SMN2
SCHEMBL9366627 0.76 CA12 (0.49) RAB9ANPC1PTPRASMN1; SMN2CYP1A2
SCHEMBL10759826 0.76 CYP1A2 (0.49) RAB9ANPC1PTPRAPOLBSMN1; SMN2
SCHEMBL13343107 0.76 SMN1; SMN2 (0.50) RAB9ANPC1PTPRAPOLBSMN1; SMN2
SCHEMBL2205706 0.75 RAB9A (0.54) RAB9ANPC1PTPRAPOLBSMN1; SMN2
SCHEMBL8558681 0.74 POLB (0.46) RAB9ANPC1PTPRAPOLBSMN1; SMN2
SCHEMBL21298 0.74 PTPRA (0.56) RAB9ANPC1PTPRAPOLBSMN1; SMN2

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-0892790-B1 NEW QUINAZOLINE-4-AMINO-2-(PIPERIDINE-1-YL-4-SUBSTITUTED) DERIVATIVES HAVING ANTI-HYPERTENSIVE ACTIVITY, A METHOD FOR THEIR PREPARATION AND THEIR PHARMACEUTICAL USE ROTTA RESEARCH LAB (IT) 2004-04-14 EP disclosed
US-5985885-A USEFUL IN THE TREATMENT OF HYPERTENSION, CONGESTIVE HEART FAILURE, PROSTATE HYPERTROPHY, VARIOUS URINARY TRACT DISORDERS AND PATHOLOGICAL SYMPTOMS CAUSED BY HYPERACTIVITY OR DISFUNCTIONING OF THE NORADRENERGIC NEURAL SYSTEM ROTTA RESEARCH LABORATORIUM S.P.A. (IT) 1999-11-16 US disclosed