SCHEMBL7975161

SCHEMBL7975161

CC(=O)N1CCN(NC(=O)c2ccc(F)cc2)CC1C(=O)NCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
CYP2D6 P10635 1/20 0.46
TSHR P16473 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
F2 P00734 1/20 0.43
CXCR4 P61073 1/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
P2RX7 Q99572 1/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
PKM P14618 1/20 0.41
CYP2C19 P33261 1/20 0.41
SLC6A12 P48065 1/20 0.41
TMEM97 Q5BJF2 1/20 0.41
MCHR1 Q99705 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
AADAT Q8N5Z0 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL7970178 0.76 CYP3A4 (0.49) ALDH1A1F2CYP3A4CYP2C9PKM
SCHEMBL7970571 0.74 CYP3A4 (0.47) ALDH1A1F2CYP3A4CYP2C9PKM
SCHEMBL8096850 0.72 CYP3A4 (0.72) ALDH1A1F2MEN1KMT2AP2RX7
SCHEMBL27394992 0.72 CYP3A4 (0.72) ALDH1A1F2MEN1KMT2AP2RX7
SCHEMBL9192251 0.70 SMN1; SMN2 (0.76) ALDH1A1CYP2D6SMN1; SMN2SLC6A12TMEM97
SCHEMBL5230740 0.69 HDAC6 (0.72) ALDH1A1TSHRCXCR4MEN1KMT2A
SCHEMBL4032604 0.69 ALDH1A1 (0.52) ALDH1A1TSHR
SCHEMBL194951 0.68 CYP2D6 (0.72) ALDH1A1CYP2D6SMN1; SMN2CYP2C9CYP2C19
SCHEMBL8544635 0.68 ALDH1A1 (0.64) ALDH1A1TSHRSMN1; SMN2F2CYP3A4
SCHEMBL1379548 0.67 ALDH1A1 (0.50) ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6291464-B1 POTENTIATION OF THE CHOLINERGIC ACTIVITY; THERAPEUTIC TREATMENT OF AMNESIA, DEMENTIA OR SENILE DEMENTIA FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-09-18 US disclosed
EP-0968201-A2 NEW AMINOPIPERAZINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-01-05 EP disclosed
WO-1998035951-A2 NEW AMINOPIPERAZINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-08-20 WO disclosed