SCHEMBL22225997

SCHEMBL22225997

O=C(c1ccc2c(c1)OCCCN2)N1CCCCC1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 13/20 0.64
TSHR P16473 3/20 0.64
RECQL P46063 1/20 0.64
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
ALDH1A1 P00352 4/20 0.55
HSD17B10 Q99714 1/20 0.50
CHRNA7 P36544 1/20 0.50
CNR1 P21554 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
GRIA3 P42263 1/20 0.46
GRIA4 P48058 1/20 0.46

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
SCHEMBL22226795 0.93 HPGD (0.66) HPGDTSHRRECQLCYP1A2CYP3A4
SCHEMBL22225992 0.80 MAPT (0.56) HPGDTSHRALDH1A1SMN1; SMN2
SCHEMBL23675356 0.80 HPGD (0.53) HPGDTSHRRECQLCYP1A2CYP3A4
SCHEMBL244490 0.79 HPGD (1.00) HPGDTSHRRECQLCYP1A2CYP3A4
SCHEMBL17346260 0.79 HPGD (0.59) HPGDTSHRRECQLCYP1A2CYP3A4
SCHEMBL22225999 0.79 HPGD (0.53) HPGDTSHRRECQLCYP1A2CYP3A4
SCHEMBL24099727 0.79 HPGD (0.53) HPGDTSHRRECQLCYP1A2CYP3A4
SCHEMBL24100154 0.79 HPGD (0.53) HPGDTSHRRECQLCYP1A2CYP3A4
SCHEMBL22207531 0.79 HPGD (0.47) HPGDTSHRRECQLCYP1A2CYP3A4
SCHEMBL30874429 0.79 HPGD (0.47) HPGDTSHRRECQLCYP1A2CYP3A4

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-3922247-A1 15-PGDH INHIBITOR Kyorin Pharmaceutical Co., Ltd. (JP) 2021-12-15 EP disclosed
WO-2020145250-A1 15-PGDH INHIBITOR 杏林製薬株式会社 2020-07-16 WO disclosed